0 mol 30 unq 0 iso 0 dist 8.61226 7.19972 6.88974 12.3376 7.5925 5.5814 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 6.79739 9.3487 6.88974 10.3407 7.5925 5.5814 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 5.90481 6.67111 6.88974 6.30807 7.5925 5.5814 numMergedOcc 0
3 mol 30 unq 3 iso 0 dist 6.30807 6.67111 5.5814 5.90481 7.5925 6.88974 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 9.16551 5.68567 7.78905 12.2785 6.85995 9.96265 numMergedOcc 0
5 mol 44 unq 1 iso 0 dist 9.16551 5.68567 7.78905 9.88278 4.19085 9.70459 numMergedOcc 0
6 mol 44 unq 2 iso 0 dist 9.16551 5.68567 7.78905 12.4418 6.10468 9.44909 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 8.65313 7.43426 7.52103 14.6585 8.61908 8.46556 numMergedOcc 0
8 mol 61 unq 1 iso 0 dist 9.00513 6.63565 8.46556 13.1609 8.61908 7.52103 numMergedOcc 0
9 mol 61 unq 2 iso 0 dist 8.64665 9.0032 8.46556 14.4297 8.61908 7.52103 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 8.36172 5.33778 9.73174 10.3804 4.37555 9.65418 numMergedOcc 0
11 mol 110 unq 1 iso 0 dist 9.95088 4.60073 9.65418 11.289 4.37555 9.73174 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.99121 6.8104 4.98864 6.30982 5.11161 7.95871 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 6.30982 6.8104 7.95871 7.99121 5.11161 4.98864 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 6.30982 5.79342 9.80286 6.12404 6.56935 6.48328 numMergedOcc 0
15 mol 115 unq 3 iso 0 dist 6.12404 5.79342 6.48328 6.30982 6.56935 9.80286 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 9.38623 7.01116 8.43038 13.7816 11.1234 8.14096 numMergedOcc 0
17 mol 167 unq 1 iso 0 dist 9.38623 7.01116 8.43038 11.5246 3.81938 9.87966 numMergedOcc 0
18 mol 185 unq 0 iso 0 dist 6.06763 12.6996 9.878 12.402 6.40496 9.21149 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 6.83539 4.41663 9.86371 6.22747 3.3846 9.13552 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 6.22747 4.41663 9.13552 6.83539 3.3846 9.86371 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 9.61454 9.77128 7.08539 18.015 13.6805 9.11256 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 4.43243 5.03598 5.66569 5.92025 5.26871 6.11137 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 5.92025 5.03598 6.11137 4.43243 5.26871 5.66569 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 5.92025 5.6375 7.89744 9.04819 8.96137 8.6417 numMergedOcc 0
25 mol 236 unq 3 iso 0 dist 9.04819 5.6375 8.6417 5.92025 8.96137 7.89744 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 9.84936 5.07427 8.51931 10.5015 13.7559 9.77689 numMergedOcc 0
